3-(phenylmethyl)-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane trihydrate trihydrochloride

Systemtic Name: 3-(phenylmethyl)-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane trihydrate trihydrochloride Openeye Name: 3-benzyl-9-[3-(1-piperidyl)propyl]-3,9-diazabicyclo[3.3.1]nonane trihydrate trihydrochloride CAS Name: 3-(phenylmethyl)-9-[3-(1-piperidinyl)propyl]-3,9-diazabicyclo[3.3.1]nonane trihydrate trihydrochloride IUPAC Name: 3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane trihydrate trihydrochloride Traditional Name: 3-benzyl-9-(3-piperidinopropyl)-3,9-diazabicyclo[3.3.1]nonane trihydrate trihydrochloride Formula: C22H44Cl3N3O3 MolecularWeight: 504.96206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCN2C3CCCC2CN(C3)CC4=CC=CC=C4.O.O.O.Cl.Cl.Cl

Isomeric SMILES

C1CCN(CC1)CCCN2C3CCCC2CN(C3)CC4=CC=CC=C4.O.O.O.Cl.Cl.Cl

InChI

InChI=1S/C22H35N3.3ClH.3H2O/c1-3-9-20(10-4-1)17-24-18-21-11-7-12-22(19-24)25(21)16-8-15-23-13-5-2-6-14-23;;;;;;/h1,3-4,9-10,21-22H,2,5-8,11-19H2;3*1H;3*1H2